2-methyl-N-[1-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: 2-methyl-N-[1-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide Openeye Name: 2-methyl-N-[1-[2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: 2-methyl-N-[1-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: 2-methyl-N-[1-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[2-keto-2-(2-methyl-4-nitro-anilino)ethyl]piperidin-1-ium-4-yl]-2-methyl-benzamide Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H26N4O4/c1-15-5-3-4-6-19(15)22(28)23-17-9-11-25(12-10-17)14-21(27)24-20-8-7-18(26(29)30)13-16(20)2/h3-8,13,17H,9-12,14H2,1-2H3,(H,23,28)(H,24,27)/p+1